CID 5356542

6628-38-2

Structural Information

Molecular Formula
C14H24O
SMILES
CCCCC(CC)/C=C\1/CCCCC1=O
InChI
InChI=1S/C14H24O/c1-3-5-8-12(4-2)11-13-9-6-7-10-14(13)15/h11-12H,3-10H2,1-2H3/b13-11-
InChIKey
KBSFOAUXMZPTDU-QBFSEMIESA-N
Compound name
(2Z)-2-(2-ethylhexylidene)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

208.18271 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 152.7
[M+Na]+ 231.17193 156.2
[M-H]- 207.17543 154.8
[M+NH4]+ 226.21653 171.6
[M+K]+ 247.14587 153.6
[M+H-H2O]+ 191.17997 146.7
[M+HCOO]- 253.18091 170.8
[M+CH3COO]- 267.19656 189.2
[M+Na-2H]- 229.15738 153.3
[M]+ 208.18216 149.8
[M]- 208.18326 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.